(4E)-5-(4-tert-butylphenyl)-4-[(4-ethoxy-2-methyl-phenyl)-oxidanyl-methylidene]-1-pyridin-2-yl-pyrrolidine-2,3-dione; ethanoic acid

Systemtic Name: (4E)-5-(4-tert-butylphenyl)-4-[(4-ethoxy-2-methyl-phenyl)-oxidanyl-methylidene]-1-pyridin-2-yl-pyrrolidine-2,3-dione; ethanoic acid Openeye Name: acetic acid; (4E)-5-(4-tert-butylphenyl)-4-[(4-ethoxy-2-methyl-phenyl)-hydroxy-methylene]-1-(2-pyridyl)pyrrolidine-2,3-dione CAS Name: acetic acid; (4E)-5-(4-tert-butylphenyl)-4-[(4-ethoxy-2-methylphenyl)-hydroxymethylidene]-1-(2-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: acetic acid; (4E)-5-(4-tert-butylphenyl)-4-[(4-ethoxy-2-methylphenyl)-hydroxymethylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione Traditional Name: acetic acid; (4E)-5-(4-tert-butylphenyl)-4-[(4-ethoxy-2-methyl-phenyl)-hydroxy-methylene]-1-(2-pyridyl)pyrrolidine-2,3-quinone Formula: C31H34N2O6 MolecularWeight: 530.61146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=C(C=C4)C(C)(C)C)O)C.CC(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=C(C=C4)C(C)(C)C)/O)C.CC(=O)O

InChI

InChI=1S/C29H30N2O4.C2H4O2/c1-6-35-21-14-15-22(18(2)17-21)26(32)24-25(19-10-12-20(13-11-19)29(3,4)5)31(28(34)27(24)33)23-9-7-8-16-30-23;1-2(3)4/h7-17,25,32H,6H2,1-5H3;1H3,(H,3,4)/b26-24+;